QuartataWeb 1.0

Data source: DrugBank-all; Query type: target; # of requested predictions: 20; Secondary interactions: no
Input target 1: O75116

No. Gene UniProt ID Protein Name Pathway PDB

1 ROCK2 O75116 Rho-associated protein kinase 2 hsa04022; hsa04024; hsa04062; hsa04071; hsa04270; hsa04310; hsa04360; hsa04510; hsa04530; hsa04611; hsa04670; hsa04810; hsa04921; hsa05130; hsa05131; hsa05132; hsa05163; hsa05200; hsa05205 4L6Q; 4WOT

5 known interactions (drugs) of input target (ROCK2): Rho-associated protein kinase 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter
1	Investigational	SmallMoleculeDrug	DB08162	Fasudil	O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2
2	Approved; Investigational	SmallMoleculeDrug	DB12010	Fostamatinib	COC1=CC(NC2=NC=C(F)C(NC3=NC4=C(OC(C)(C)C(=O)N4COP(O)(O)=O)C=C3)=N2)=CC(OC)=C1OC
3	Approved	SmallMoleculeDrug	DB13165	Ripasudil	C[C@H]1CNCCCN1S(=O)(=O)C1=C2C(F)=CN=CC2=CC=C1
4	Approved	SmallMoleculeDrug	DB13931	Netarsudil	CC1=CC(C)=C(C=C1)C(=O)OCC1=CC=C(C=C1)[C@@H](CN)C(=O)NC1=CC=C2C=NC=CC2=C1
5	Experimental	SmallMoleculeDrug	DB08756	(R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE	[H][C@](C)(N)[C@@]1([H])CC[C@@]([H])(CC1)C(=O)NC1=CC=NC=C1

20 predicted interactions (drugs) of input target (ROCK2): Rho-associated protein kinase 2

No.	Group	Type	Drug ID	Drug Name	SMILES ⇨ TargetHunter	Confidence score
1	Experimental	SmallMoleculeDrug	DB07876	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE	[H][C@]1(C)CNCCCN1S(=O)(=O)C1=C2C(C)=CN=CC2=CC=C1	43.5%
2	Experimental	SmallMoleculeDrug	DB04707	Hydroxyfasudil	OC1=C2C=CC=C(C2=CC=N1)S(=O)(=O)N1CCCNCC1	38.9%
3	Approved; Investigational	SmallMoleculeDrug	DB01254	Dasatinib	CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1	23.7%
4	Experimental	SmallMoleculeDrug	DB07859	4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE	ClC1=CC=C(C=C1)C1(CCNCC1)C1=CC=C(C=C1)C1=CNN=C1	22.9%
5	Experimental	SmallMoleculeDrug	DB02010	Staurosporine	[H][C@]1(C[C@@]2([H])O[C@](C)(N3C4=CC=CC=C4C4=C5CNC(=O)C5=C5C6=CC=CC=C6N2C5=C34)[C@]1([H])OC)NC	22.6%
6	Approved; Investigational	SmallMoleculeDrug	DB01268	Sunitinib	CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C	21.9%
7	Approved	BiotechDrug	DB10770	Foreskin fibroblast (neonatal)	NA	21.7%
8	Experimental	SmallMoleculeDrug	DB08149	1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine	NCC1(CC2=CC=C(Cl)C=C2)CCN(CC1)C1=C2C=CNC2=NC=N1	21.2%
9	Approved	SmallMoleculeDrug	DB08916	Afatinib	CN(C)C\C=C\C(=O)NC1=C(O[C@H]2CCOC2)C=C2N=CN=C(NC3=CC(Cl)=C(F)C=C3)C2=C1	20.9%
10	Experimental	SmallMoleculeDrug	DB07204	(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE	[H][C@@](N)(COC1=C2C=CC(=NC2=CN=C1)C1=CC=NC=C1)CC1=CNC2=C1C=CC=C2	20.9%
11	Approved	BiotechDrug	DB10772	Foreskin keratinocyte (neonatal)	NA	20.7%
12	Experimental	SmallMoleculeDrug	DB04522	Dexfosfoserine	N[C@@H](COP(O)(O)=O)C(O)=O	20.3%
13	Experimental	SmallMoleculeDrug	DB07855	(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE	[H][C@](N)(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C2N=CNC2=NC=N1	19.8%
14	Experimental	SmallMoleculeDrug	DB08070	2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE	CC1=NNC=C1C1=CC=C(CCN)C=C1	19.7%
15	Approved; Vet approved	SmallMoleculeDrug	DB00945	Acetylsalicylic acid	CC(=O)OC1=CC=CC=C1C(O)=O	19.4%
16	Experimental	SmallMoleculeDrug	DB08114	5-benzyl-1,3-thiazol-2-amine	NC1=NC=C(CC2=CC=CC=C2)S1	19.0%
17	Experimental	SmallMoleculeDrug	DB08568	(2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE	[H][C@@](N)(COC1=CC(=CN=C1)C1=CC=C2NN=C(C)C2=C1)CC1=CC=CC=C1	18.9%
18	Approved	SmallMoleculeDrug	DB01212	Ceftriaxone	[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O	18.8%
19	Approved; Experimental; Investigational	SmallMoleculeDrug	DB01942	Formic Acid	OC=O	18.7%
20	Investigational	SmallMoleculeDrug	DB12742	Amuvatinib	S=C(NCC1=CC=C2OCOC2=C1)N1CCN(CC1)C1=NC=NC2=C1OC1=C2C=CC=C1	18.3%